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Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'sugai' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50091652
PNG
(CHEMBL269503 | PYY | PYY, rat | Peptide YY(PYY)(YP...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C190H287N53O58/c1-92(2)74-124(166(280)216-114(27-18-66-204-187(195)196)158(272)231-131(83-107-86-203-91-209-107)171(285)230-130(81-105-41-51-111(251)52-42-105)169(283)225-125(75-93(3)4)167(281)232-132(84-143(194)254)172(286)226-127(77-95(7)8)173(287)238-150(96(9)10)180(294)239-151(101(15)247)181(295)222-117(30-21-69-207-190(201)202)156(270)218-119(55-60-142(193)253)161(275)215-116(29-20-68-206-189(199)200)159(273)234-134(186(300)301)82-106-43-53-112(252)54-44-106)227-175(289)135(88-244)235-153(267)97(11)210-164(278)128(79-103-37-47-109(249)48-38-103)229-170(284)129(80-104-39-49-110(250)50-40-104)228-157(271)115(28-19-67-205-188(197)198)217-174(288)136(89-245)236-168(282)126(76-94(5)6)224-163(277)121(58-63-147(260)261)219-162(276)122(59-64-148(262)263)221-179(293)141-34-25-73-243(141)185(299)137(90-246)237-154(268)98(12)211-165(279)133(85-149(264)265)233-160(274)118(56-61-145(256)257)214-144(255)87-208-176(290)138-31-22-70-240(138)182(296)100(14)213-155(269)120(57-62-146(258)259)220-178(292)140-33-24-72-242(140)184(298)123(26-16-17-65-191)223-152(266)99(13)212-177(291)139-32-23-71-241(139)183(297)113(192)78-102-35-45-108(248)46-36-102/h35-54,86,91-101,113-141,150-151,244-252H,16-34,55-85,87-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H,203,209)(H,208,290)(H,210,278)(H,211,279)(H,212,291)(H,213,269)(H,214,255)(H,215,275)(H,216,280)(H,217,288)(H,218,270)(H,219,276)(H,220,292)(H,221,293)(H,222,295)(H,223,266)(H,224,277)(H,225,283)(H,226,286)(H,227,289)(H,228,271)(H,229,284)(H,230,285)(H,231,272)(H,232,281)(H,233,274)(H,234,273)(H,235,267)(H,236,282)(H,237,268)(H,238,287)(H,239,294)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,300,301)(H4,195,196,204)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)/t97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 562-70 (2006)


Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50091652
PNG
(CHEMBL269503 | PYY | PYY, rat | Peptide YY(PYY)(YP...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C190H287N53O58/c1-92(2)74-124(166(280)216-114(27-18-66-204-187(195)196)158(272)231-131(83-107-86-203-91-209-107)171(285)230-130(81-105-41-51-111(251)52-42-105)169(283)225-125(75-93(3)4)167(281)232-132(84-143(194)254)172(286)226-127(77-95(7)8)173(287)238-150(96(9)10)180(294)239-151(101(15)247)181(295)222-117(30-21-69-207-190(201)202)156(270)218-119(55-60-142(193)253)161(275)215-116(29-20-68-206-189(199)200)159(273)234-134(186(300)301)82-106-43-53-112(252)54-44-106)227-175(289)135(88-244)235-153(267)97(11)210-164(278)128(79-103-37-47-109(249)48-38-103)229-170(284)129(80-104-39-49-110(250)50-40-104)228-157(271)115(28-19-67-205-188(197)198)217-174(288)136(89-245)236-168(282)126(76-94(5)6)224-163(277)121(58-63-147(260)261)219-162(276)122(59-64-148(262)263)221-179(293)141-34-25-73-243(141)185(299)137(90-246)237-154(268)98(12)211-165(279)133(85-149(264)265)233-160(274)118(56-61-145(256)257)214-144(255)87-208-176(290)138-31-22-70-240(138)182(296)100(14)213-155(269)120(57-62-146(258)259)220-178(292)140-33-24-72-242(140)184(298)123(26-16-17-65-191)223-152(266)99(13)212-177(291)139-32-23-71-241(139)183(297)113(192)78-102-35-45-108(248)46-36-102/h35-54,86,91-101,113-141,150-151,244-252H,16-34,55-85,87-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H,203,209)(H,208,290)(H,210,278)(H,211,279)(H,212,291)(H,213,269)(H,214,255)(H,215,275)(H,216,280)(H,217,288)(H,218,270)(H,219,276)(H,220,292)(H,221,293)(H,222,295)(H,223,266)(H,224,277)(H,225,283)(H,226,286)(H,227,289)(H,228,271)(H,229,284)(H,230,285)(H,231,272)(H,232,281)(H,233,274)(H,234,273)(H,235,267)(H,236,282)(H,237,268)(H,238,287)(H,239,294)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,300,301)(H4,195,196,204)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)/t97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 562-70 (2006)


Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50091652
PNG
(CHEMBL269503 | PYY | PYY, rat | Peptide YY(PYY)(YP...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C190H287N53O58/c1-92(2)74-124(166(280)216-114(27-18-66-204-187(195)196)158(272)231-131(83-107-86-203-91-209-107)171(285)230-130(81-105-41-51-111(251)52-42-105)169(283)225-125(75-93(3)4)167(281)232-132(84-143(194)254)172(286)226-127(77-95(7)8)173(287)238-150(96(9)10)180(294)239-151(101(15)247)181(295)222-117(30-21-69-207-190(201)202)156(270)218-119(55-60-142(193)253)161(275)215-116(29-20-68-206-189(199)200)159(273)234-134(186(300)301)82-106-43-53-112(252)54-44-106)227-175(289)135(88-244)235-153(267)97(11)210-164(278)128(79-103-37-47-109(249)48-38-103)229-170(284)129(80-104-39-49-110(250)50-40-104)228-157(271)115(28-19-67-205-188(197)198)217-174(288)136(89-245)236-168(282)126(76-94(5)6)224-163(277)121(58-63-147(260)261)219-162(276)122(59-64-148(262)263)221-179(293)141-34-25-73-243(141)185(299)137(90-246)237-154(268)98(12)211-165(279)133(85-149(264)265)233-160(274)118(56-61-145(256)257)214-144(255)87-208-176(290)138-31-22-70-240(138)182(296)100(14)213-155(269)120(57-62-146(258)259)220-178(292)140-33-24-72-242(140)184(298)123(26-16-17-65-191)223-152(266)99(13)212-177(291)139-32-23-71-241(139)183(297)113(192)78-102-35-45-108(248)46-36-102/h35-54,86,91-101,113-141,150-151,244-252H,16-34,55-85,87-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H,203,209)(H,208,290)(H,210,278)(H,211,279)(H,212,291)(H,213,269)(H,214,255)(H,215,275)(H,216,280)(H,217,288)(H,218,270)(H,219,276)(H,220,292)(H,221,293)(H,222,295)(H,223,266)(H,224,277)(H,225,283)(H,226,286)(H,227,289)(H,228,271)(H,229,284)(H,230,285)(H,231,272)(H,232,281)(H,233,274)(H,234,273)(H,235,267)(H,236,282)(H,237,268)(H,238,287)(H,239,294)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,300,301)(H4,195,196,204)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)/t97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 562-70 (2006)


Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM86732
PNG
(3-(5,6,7,8-tetrahydro-9-isopropyl-carbazol-3-yl)-1...)
Show SMILES CC(C)n1c2CCCCc2c2cc(NC(=O)N(C)CCc3ccncc3)ccc12
Show InChI InChI=1S/C24H30N4O/c1-17(2)28-22-7-5-4-6-20(22)21-16-19(8-9-23(21)28)26-24(29)27(3)15-12-18-10-13-25-14-11-18/h8-11,13-14,16-17H,4-7,12,15H2,1-3H3,(H,26,29)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.30n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 562-70 (2006)


Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM86733
PNG
(5,5-DIMETHYL-2-(2,3,4,9-TETRAHYDRO-3,3-DIMETHYL-1O...)
Show SMILES CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1 |t:8|
Show InChI InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19-20H,9-12H2,1-4H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 562-70 (2006)


Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM86733
PNG
(5,5-DIMETHYL-2-(2,3,4,9-TETRAHYDRO-3,3-DIMETHYL-1O...)
Show SMILES CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1 |t:8|
Show InChI InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19-20H,9-12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 562-70 (2006)


Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM86733
PNG
(5,5-DIMETHYL-2-(2,3,4,9-TETRAHYDRO-3,3-DIMETHYL-1O...)
Show SMILES CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1 |t:8|
Show InChI InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19-20H,9-12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 562-70 (2006)


Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM86732
PNG
(3-(5,6,7,8-tetrahydro-9-isopropyl-carbazol-3-yl)-1...)
Show SMILES CC(C)n1c2CCCCc2c2cc(NC(=O)N(C)CCc3ccncc3)ccc12
Show InChI InChI=1S/C24H30N4O/c1-17(2)28-22-7-5-4-6-20(22)21-16-19(8-9-23(21)28)26-24(29)27(3)15-12-18-10-13-25-14-11-18/h8-11,13-14,16-17H,4-7,12,15H2,1-3H3,(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 562-70 (2006)


Article DOI: 10.1124/jpet.105.099705
BindingDB Entry DOI: 10.7270/Q25Q4TPT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15006
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(8-12)28-19(29)27-13-6-4-11(5-7-13)15-9-30-18-16(15)17(24)25-10-26-18/h1-10H,(H2,24,25,26)(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.08n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15003
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 7.76n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15006
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(8-12)28-19(29)27-13-6-4-11(5-7-13)15-9-30-18-16(15)17(24)25-10-26-18/h1-10H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 10.2n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15003
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 13.5n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5815
PNG
(3-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimi...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C27H19F4N5O3/c1-38-18-9-4-15(5-10-18)23-21(22-24(32)33-13-34-25(22)39-23)14-2-7-17(8-3-14)35-26(37)36-20-12-16(27(29,30)31)6-11-19(20)28/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37)
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n/an/a 15.5n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15010
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-n...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4ccc5ccccc5c4)cc3)c12
Show InChI InChI=1S/C23H17N5O2/c24-21-20-19(12-30-22(20)26-13-25-21)15-6-8-17(9-7-15)27-23(29)28-18-10-5-14-3-1-2-4-16(14)11-18/h1-13H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 24.0n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15010
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-n...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4ccc5ccccc5c4)cc3)c12
Show InChI InChI=1S/C23H17N5O2/c24-21-20-19(12-30-22(20)26-13-25-21)15-6-8-17(9-7-15)27-23(29)28-18-10-5-14-3-1-2-4-16(14)11-18/h1-13H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 81.3n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15004
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H13F6N5O2/c22-20(23,24)11-5-12(21(25,26)27)7-14(6-11)32-19(33)31-13-3-1-10(2-4-13)15-8-34-18-16(15)17(28)29-9-30-18/h1-9H,(H2,28,29,30)(H2,31,32,33)
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n/an/a 138n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15009
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-n...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc5ccccc45)cc3)c12
Show InChI InChI=1S/C23H17N5O2/c24-21-20-18(12-30-22(20)26-13-25-21)15-8-10-16(11-9-15)27-23(29)28-19-7-3-5-14-4-1-2-6-17(14)19/h1-13H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 182n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15007
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13ClF3N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 186n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15007
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13ClF3N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 204n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15008
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-(...)
Show SMILES COc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2coc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H16FN5O3/c1-28-13-6-7-15(21)16(8-13)26-20(27)25-12-4-2-11(3-5-12)14-9-29-19-17(14)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 224n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15008
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-(...)
Show SMILES COc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2coc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H16FN5O3/c1-28-13-6-7-15(21)16(8-13)26-20(27)25-12-4-2-11(3-5-12)14-9-29-19-17(14)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 331n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15004
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H13F6N5O2/c22-20(23,24)11-5-12(21(25,26)27)7-14(6-11)32-19(33)31-13-3-1-10(2-4-13)15-8-34-18-16(15)17(28)29-9-30-18/h1-9H,(H2,28,29,30)(H2,31,32,33)
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n/an/a 380n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15005
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-(...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(Oc5ccccc5)c4)cc3)c12
Show InChI InChI=1S/C25H19N5O3/c26-23-22-21(14-32-24(22)28-15-27-23)16-9-11-17(12-10-16)29-25(31)30-18-5-4-8-20(13-18)33-19-6-2-1-3-7-19/h1-15H,(H2,26,27,28)(H2,29,30,31)
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n/an/a 407n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15009
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-n...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc5ccccc45)cc3)c12
Show InChI InChI=1S/C23H17N5O2/c24-21-20-18(12-30-22(20)26-13-25-21)15-8-10-16(11-9-15)27-23(29)28-19-7-3-5-14-4-1-2-6-17(14)19/h1-13H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 447n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15005
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-(...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(Oc5ccccc5)c4)cc3)c12
Show InChI InChI=1S/C25H19N5O3/c26-23-22-21(14-32-24(22)28-15-27-23)16-9-11-17(12-10-16)29-25(31)30-18-5-4-8-20(13-18)33-19-6-2-1-3-7-19/h1-15H,(H2,26,27,28)(H2,29,30,31)
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n/an/a 1.74E+3n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair